BDBM50033852 1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-4-pyridin-2-yl-piperazine::CHEMBL444590

SMILES: COc1cccc2C(CCCN3CCN(CC3)c3ccccn3)CCCc12

InChI Key: InChIKey=KKPMYWNQZNRGIK-UHFFFAOYSA-N

Data: 7 KI  10 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50033852   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50033852 (1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...) Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccn3)CCCc12 Show InChI InChI=1S/C23H31N3O/c1-27-22-11-5-9-20-19(7-4-10-21(20)22)8-6-14-25-15-17-26(18-16-25)23-12-2-3-13-24-23/h2-3,5,9,11-13,19H,4,6-8,10,14-18H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università Bari Curated by ChEMBL					Assay Description Binding affinity of the compound was determined on human cloned 5-hydroxytryptamine 1A receptor transfected in human cell lines (He La)				J Med Chem 44: 4431-42 (2001) BindingDB Entry DOI: 10.7270/Q2NC60GV
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50033852 (1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...) Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccn3)CCCc12 Show InChI InChI=1S/C23H31N3O/c1-27-22-11-5-9-20-19(7-4-10-21(20)22)8-6-14-25-15-17-26(18-16-25)23-12-2-3-13-24-23/h2-3,5,9,11-13,19H,4,6-8,10,14-18H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università Bari Curated by ChEMBL					Assay Description Binding affinity was determined on human cloned alpha1a adrenoceptor				J Med Chem 44: 4431-42 (2001) BindingDB Entry DOI: 10.7270/Q2NC60GV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50033852 (1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...) Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccn3)CCCc12 Show InChI InChI=1S/C23H31N3O/c1-27-22-11-5-9-20-19(7-4-10-21(20)22)8-6-14-25-15-17-26(18-16-25)23-12-2-3-13-24-23/h2-3,5,9,11-13,19H,4,6-8,10,14-18H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università Bari Curated by ChEMBL					Assay Description Binding was determined on 5-hydroxytryptamine 1A receptor in rat hippocampal membranes				J Med Chem 44: 4431-42 (2001) BindingDB Entry DOI: 10.7270/Q2NC60GV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50033852 (1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...) Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccn3)CCCc12 Show InChI InChI=1S/C23H31N3O/c1-27-22-11-5-9-20-19(7-4-10-21(20)22)8-6-14-25-15-17-26(18-16-25)23-12-2-3-13-24-23/h2-3,5,9,11-13,19H,4,6-8,10,14-18H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institute and Karolinska University Hospital Curated by ChEMBL					Assay Description Agonist activity at human 5-HT1A receptor expressed in human HeLa cell membranes assessed as stimulation of [35S]GTPgammaS binding after 20 mins by l...				Bioorg Med Chem 23: 4824-30 (2015) Article DOI: 10.1016/j.bmc.2015.05.042 BindingDB Entry DOI: 10.7270/Q21R6S8W
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50033852 (1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...) Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccn3)CCCc12 Show InChI InChI=1S/C23H31N3O/c1-27-22-11-5-9-20-19(7-4-10-21(20)22)8-6-14-25-15-17-26(18-16-25)23-12-2-3-13-24-23/h2-3,5,9,11-13,19H,4,6-8,10,14-18H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università Bari Curated by ChEMBL					Assay Description Binding affinity of the compound towarda alpha-1D adrenergic receptor				J Med Chem 44: 4431-42 (2001) BindingDB Entry DOI: 10.7270/Q2NC60GV
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50033852 (1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...) Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccn3)CCCc12 Show InChI InChI=1S/C23H31N3O/c1-27-22-11-5-9-20-19(7-4-10-21(20)22)8-6-14-25-15-17-26(18-16-25)23-12-2-3-13-24-23/h2-3,5,9,11-13,19H,4,6-8,10,14-18H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università Bari Curated by ChEMBL					Assay Description Binding affinity was determined on human cloned alpha-1B adrenergic receptor				J Med Chem 44: 4431-42 (2001) BindingDB Entry DOI: 10.7270/Q2NC60GV
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50033852 (1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...) Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccn3)CCCc12 Show InChI InChI=1S/C23H31N3O/c1-27-22-11-5-9-20-19(7-4-10-21(20)22)8-6-14-25-15-17-26(18-16-25)23-12-2-3-13-24-23/h2-3,5,9,11-13,19H,4,6-8,10,14-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	117	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università Bari Curated by ChEMBL					Assay Description Binding affinity towards dopamine receptor D2 in rat striatal membranes				J Med Chem 44: 4431-42 (2001) BindingDB Entry DOI: 10.7270/Q2NC60GV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50033852 (1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...) Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccn3)CCCc12 Show InChI InChI=1S/C23H31N3O/c1-27-22-11-5-9-20-19(7-4-10-21(20)22)8-6-14-25-15-17-26(18-16-25)23-12-2-3-13-24-23/h2-3,5,9,11-13,19H,4,6-8,10,14-18H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari Curated by ChEMBL					Assay Description Binding affinity against serotonin 5-hydroxytryptamine 1A receptor in rat hippocampus membrane using [3H]8-OH-DPAT as radioligand				J Med Chem 39: 3195-202 (1996) Article DOI: 10.1021/jm960087s BindingDB Entry DOI: 10.7270/Q2GM87ZN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50033852 (1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...) Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccn3)CCCc12 Show InChI InChI=1S/C23H31N3O/c1-27-22-11-5-9-20-19(7-4-10-21(20)22)8-6-14-25-15-17-26(18-16-25)23-12-2-3-13-24-23/h2-3,5,9,11-13,19H,4,6-8,10,14-18H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari Curated by ChEMBL					Assay Description Binding affinity towards rat 5-hydroxytryptamine 1A receptor was evaluated using [3H]8-OH-DPAT as radioligand				J Med Chem 39: 4928-34 (1997) Article DOI: 10.1021/jm9604538 BindingDB Entry DOI: 10.7270/Q2ZG6SX1
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50033852 (1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...) Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccn3)CCCc12 Show InChI InChI=1S/C23H31N3O/c1-27-22-11-5-9-20-19(7-4-10-21(20)22)8-6-14-25-15-17-26(18-16-25)23-12-2-3-13-24-23/h2-3,5,9,11-13,19H,4,6-8,10,14-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari Curated by ChEMBL					Assay Description Binding affinity towards rat Dopamine receptor D2 was evaluated using [3H]- spiroperidol as radioligand				J Med Chem 39: 4928-34 (1997) Article DOI: 10.1021/jm9604538 BindingDB Entry DOI: 10.7270/Q2ZG6SX1
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50033852 (1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...) Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccn3)CCCc12 Show InChI InChI=1S/C23H31N3O/c1-27-22-11-5-9-20-19(7-4-10-21(20)22)8-6-14-25-15-17-26(18-16-25)23-12-2-3-13-24-23/h2-3,5,9,11-13,19H,4,6-8,10,14-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari Curated by ChEMBL					Assay Description Binding affinity to rat Dopamine receptor D2 expressed in CHO cells was determined using [125 I ] iodosulpride as radioligand				J Med Chem 39: 3195-202 (1996) Article DOI: 10.1021/jm960087s BindingDB Entry DOI: 10.7270/Q2GM87ZN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50033852 (1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...) Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccn3)CCCc12 Show InChI InChI=1S/C23H31N3O/c1-27-22-11-5-9-20-19(7-4-10-21(20)22)8-6-14-25-15-17-26(18-16-25)23-12-2-3-13-24-23/h2-3,5,9,11-13,19H,4,6-8,10,14-18H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.776	n/a	n/a	n/a	n/a
Karolinska Institute and Karolinska University Hospital Curated by ChEMBL					Assay Description Agonist activity at human 5-HT1A receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 15 mins by EL...				Bioorg Med Chem 23: 4824-30 (2015) Article DOI: 10.1016/j.bmc.2015.05.042 BindingDB Entry DOI: 10.7270/Q21R6S8W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50033852 (1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...) Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccn3)CCCc12 Show InChI InChI=1S/C23H31N3O/c1-27-22-11-5-9-20-19(7-4-10-21(20)22)8-6-14-25-15-17-26(18-16-25)23-12-2-3-13-24-23/h2-3,5,9,11-13,19H,4,6-8,10,14-18H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
Università di Bari Curated by ChEMBL					Assay Description In vitro inhibition of [3H]-8-OH-DPAT binding to rat 5-HT 1a receptors.				J Med Chem 42: 490-6 (1999) Article DOI: 10.1021/jm980420n BindingDB Entry DOI: 10.7270/Q29W0DP9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50033852 (1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...) Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccn3)CCCc12 Show InChI InChI=1S/C23H31N3O/c1-27-22-11-5-9-20-19(7-4-10-21(20)22)8-6-14-25-15-17-26(18-16-25)23-12-2-3-13-24-23/h2-3,5,9,11-13,19H,4,6-8,10,14-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Università di Bari Curated by ChEMBL					Assay Description In vitro inhibition of [3H]-spiroperidol binding to rat Dopamine D2 receptors.				J Med Chem 42: 490-6 (1999) Article DOI: 10.1021/jm980420n BindingDB Entry DOI: 10.7270/Q29W0DP9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50033852 (1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...) Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccn3)CCCc12 Show InChI InChI=1S/C23H31N3O/c1-27-22-11-5-9-20-19(7-4-10-21(20)22)8-6-14-25-15-17-26(18-16-25)23-12-2-3-13-24-23/h2-3,5,9,11-13,19H,4,6-8,10,14-18H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
Università di Bari Curated by ChEMBL					Assay Description In vitro binding affinity measured on serotonin 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand.				J Med Chem 38: 942-9 (1995) BindingDB Entry DOI: 10.7270/Q2SQ8ZD0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50033852 (1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...) Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccn3)CCCc12 Show InChI InChI=1S/C23H31N3O/c1-27-22-11-5-9-20-19(7-4-10-21(20)22)8-6-14-25-15-17-26(18-16-25)23-12-2-3-13-24-23/h2-3,5,9,11-13,19H,4,6-8,10,14-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari Curated by ChEMBL					Assay Description Binding affinity towards rat 5-hydroxytryptamine 2A receptor was evaluated using [3H]- ketanserin as radioligand				J Med Chem 39: 4928-34 (1997) Article DOI: 10.1021/jm9604538 BindingDB Entry DOI: 10.7270/Q2ZG6SX1
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50033852 (1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...) Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccn3)CCCc12 Show InChI InChI=1S/C23H31N3O/c1-27-22-11-5-9-20-19(7-4-10-21(20)22)8-6-14-25-15-17-26(18-16-25)23-12-2-3-13-24-23/h2-3,5,9,11-13,19H,4,6-8,10,14-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	177	n/a	n/a	n/a	n/a	n/a	n/a
Università di Bari Curated by ChEMBL					Assay Description In vitro binding affinity measured on dopamine receptor D2 using [3H]-spiroperidol as radioligand.				J Med Chem 38: 942-9 (1995) BindingDB Entry DOI: 10.7270/Q2SQ8ZD0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50033852 (1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...) Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccn3)CCCc12 Show InChI InChI=1S/C23H31N3O/c1-27-22-11-5-9-20-19(7-4-10-21(20)22)8-6-14-25-15-17-26(18-16-25)23-12-2-3-13-24-23/h2-3,5,9,11-13,19H,4,6-8,10,14-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	67.5	n/a	n/a	n/a	n/a	n/a	n/a
Università di Bari Curated by ChEMBL					Assay Description In vitro binding affinity measured on sigma opioid receptor using [3H]-DTG as radioligand				J Med Chem 38: 942-9 (1995) BindingDB Entry DOI: 10.7270/Q2SQ8ZD0
					More data for this Ligand-Target Pair